CID 13932398
Aspartylserine
Structural Information
- Molecular Formula
- C7H12N2O6
- SMILES
- C(C(C(=O)NC(CO)C(=O)O)N)C(=O)O
- InChI
- InChI=1S/C7H12N2O6/c8-3(1-5(11)12)6(13)9-4(2-10)7(14)15/h3-4,10H,1-2,8H2,(H,9,13)(H,11,12)(H,14,15)
- InChIKey
- DWBZEJHQQIURML-UHFFFAOYSA-N
- Compound name
- 3-amino-4-[(1-carboxy-2-hydroxyethyl)amino]-4-oxobutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 221.07681 | 146.4 |
[M+Na]+ | 243.05875 | 149.5 |
[M-H]- | 219.06225 | 141.8 |
[M+NH4]+ | 238.10335 | 160.8 |
[M+K]+ | 259.03269 | 150.0 |
[M+H-H2O]+ | 203.06679 | 140.5 |
[M+HCOO]- | 265.06773 | 163.7 |
[M+CH3COO]- | 279.08338 | 186.6 |
[M+Na-2H]- | 241.04420 | 144.5 |
[M]+ | 220.06898 | 142.8 |
[M]- | 220.07008 | 142.8 |